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Physiologically-Based Pharmacokinetic and Pharmacodynamic (PBPK/Pd) Model for Predicting the Dermal Dose and Disposition of Organophosphorus Insecticides

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Abstract: Physiologically-based pharmacokinetic/ pharmacodynamic (PBPK/PD) models are particularly suited for interpretation of cumulative risk via the dermal route for which aggregate exposure must be assessed for chemicals having a common mechanism of toxicity. To this end, a quantitative structure-activity relationship (QSAR) database was compiled containing physicochemical descriptors and percutaneous absorption, pharmacokinetic, and metabolic parameter estimates, for 31 organophosphorus (OP) insecticides. The QSAR descriptors were obtained using molecular modeling software (HyperChem (registered) ChemPlus TM). Pharmacokinetic, metabolic, and percutaneous absorption parameter estimates were obtained from the published literature. Results indicate that QSAR techniques can provide reasonable estimates of pharmacokinetic, metabolic, and skin absorption parameter values for individual OP insecticides and mixtures for use in cumulative risk assessment. This approach holds great promise for advancing our understanding of a dynamic source-to-exposure-to-dose process involving aggregate exposure of infants and children to a broad range of organophosphorus (OP) insecticides with differing chemical structures. These dermal parameters were used in the Exposure Related Dose Estimating Model (a PBPK/PD model) to determine the relevant dose for exposure of children to OP insecticides, parathion, chlorpyrifos, and isofenphos.

The U.S. EPA Office of Research and Development funded this research. The abstract was reviewed and approved. The oral presentation has not been reviewed. Mention of trade names or commercial products does not constitute endorsement or recommendation for use.
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Citation:Dary, C. C., E. J. Furtaw Jr., F. W. Power, and J. N. Blancato. Physiologically-Based Pharmacokinetic and Pharmacodynamic (PBPK/Pd) Model for Predicting the Dermal Dose and Disposition of Organophosphorus Insecticides. Presented at Society for Risk Analysis Meeting, New Orleans, LA, December 8-11, 2002.
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Contact: Liz Hope - (919) 541-2785 or hope.elizabeth@epa.gov
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Division: Human Exposure & Atmospheric Sciences Division
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Branch: Human Expsoure Research Branch
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Product Type: Abstrct/Oral
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Presented: 12/08/2002
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Related Entries:
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Bullet Item Models and Modeling Methods for Assessing Human Exposure and Dose to Toxic Chemicals and Pollutants
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Last Updated on Monday, October 22, 2007
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